REMARK  Name = BDB007936
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.144   2.306   1.048  0.00  0.00    -0.036 A 
ATOM      2  C   LIG    1       -1.239   1.918   0.259  0.00  0.00    +0.019 A 
ATOM      3  C   LIG    1       -1.939   0.740   0.541  0.00  0.00    +0.008 A 
ATOM      4  C   LIG    1       -1.530  -0.068   1.603  0.00  0.00    +0.015 A 
ATOM      5  C   LIG    1       -0.434   0.304   2.383  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1        0.255   1.486   2.109  0.00  0.00    +0.004 A 
ENDROOT
BRANCH   1   7
ATOM      7  C   LIG    1        0.602   3.578   0.742  0.00  0.00    +0.155 C 
BRANCH   7   9
ATOM      8  O   LIG    1        1.459   4.230  -1.421  0.00  0.00    -0.250 OA
ATOM      9  C   LIG    1        1.512   3.474  -0.457  0.00  0.00    +0.312 C 
BRANCH   9  10
ATOM     10  O   LIG    1        2.413   2.469  -0.302  0.00  0.00    -0.460 OA
BRANCH  10  11
ATOM     11  C   LIG    1        3.301   2.308  -1.409  0.00  0.00    +0.267 C 
BRANCH  11  12
ATOM     12  C   LIG    1        4.133   1.076  -1.157  0.00  0.00    -0.010 A 
ATOM     13  C   LIG    1        3.521  -0.184  -1.082  0.00  0.00    +0.009 A 
ATOM     14  C   LIG    1        4.279  -1.339  -0.855  0.00  0.00    +0.028 A 
ATOM     15  C   LIG    1        5.668  -1.246  -0.701  0.00  0.00    +0.065 A 
ATOM     16  C   LIG    1        6.282   0.014  -0.765  0.00  0.00    +0.028 A 
ATOM     17  C   LIG    1        5.520   1.165  -0.992  0.00  0.00    +0.009 A 
BRANCH  15  18
ATOM     18  N   LIG    1        6.467  -2.404  -0.478  0.00  0.00    -0.240 N 
ATOM     19  N   LIG    1        7.810  -2.303  -0.285  0.00  0.00    -0.175 NA
ATOM     20  C   LIG    1        8.223  -3.557  -0.106  0.00  0.00    +0.135 A 
ATOM     21  C   LIG    1        7.178  -4.486  -0.184  0.00  0.00    +0.041 A 
ATOM     22  C   LIG    1        6.062  -3.724  -0.425  0.00  0.00    +0.114 A 
ENDBRANCH  15  18
ENDBRANCH  11  12
ENDBRANCH  10  11
ENDBRANCH   9  10
ENDBRANCH   7   9
ENDBRANCH   1   7
BRANCH   3  23
ATOM     23  S   LIG    1       -3.335   0.276  -0.464  0.00  0.00    -0.120 S 
BRANCH  23  24
ATOM     24  C   LIG    1       -4.668   0.680   0.717  0.00  0.00    +0.110 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -6.015   0.227   0.204  0.00  0.00    -0.023 A 
ATOM     26  C   LIG    1       -6.488  -1.099   0.321  0.00  0.00    +0.063 A 
ATOM     27  C   LIG    1       -7.749  -1.431  -0.209  0.00  0.00    +0.015 A 
ATOM     28  C   LIG    1       -8.531  -0.472  -0.860  0.00  0.00    +0.001 A 
ATOM     29  C   LIG    1       -8.063   0.829  -0.992  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1       -6.818   1.176  -0.468  0.00  0.00    +0.005 A 
BRANCH  26  31
ATOM     31  C   LIG    1       -5.691  -2.164   0.998  0.00  0.00    +0.337 C 
ATOM     32  O   LIG    1       -4.765  -2.021   1.776  0.00  0.00    -0.245 OA
BRANCH  31  33
ATOM     33  O   LIG    1       -6.105  -3.402   0.659  0.00  0.00    -0.477 OA
ATOM     34  H   LIG    1       -5.496  -3.992   1.151  0.00  0.00    +0.295 HD
ENDBRANCH  31  33
ENDBRANCH  26  31
ENDBRANCH  24  25
ENDBRANCH  23  24
ENDBRANCH   3  23
TORSDOF 11